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6E1
6E1
Name:3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside
Formula:C28 H28 F8 N2 O12 S
SMILES:c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F
InChi:InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1
Definition date:2016-03-18
Last modified:2017-03-24
Release date:2017-03-29
Identifier:3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside
6E3
6E3
Name:2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Formula:C10 H12 N2 O2
SMILES:O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C
InChi:InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3
Definition date:2016-03-19
Last modified:2017-03-24
Release date:2017-03-29
Identifier:2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
5KN
5KN
Name:2,4-di(morpholin-4-yl)aniline
Formula:C14 H21 N3 O2
SMILES:c1c(N)c(cc(c1)N2CCOCC2)N3CCOCC3
InChi:InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
Definition date:2015-10-13
Last modified:2017-03-24
Release date:2017-03-29
Identifier:2,4-di(morpholin-4-yl)aniline
75O
75O
Name:6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid
Formula:C17 H16 Cl N3 O3
SMILES:n2cc(c3cc(c1c(nc(cc1)N(C)C)OC)c(cc23)Cl)C(O)=O
InChi:InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)
Definition date:2016-09-01
Last modified:2017-03-24
Release date:2017-03-29
Identifier:6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid
76U
76U
Name:(4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
Formula:C13 H20 F N2 O7 P
SMILES:c1(c(c(c(C)nc1)O)CNC(CF)CCC(O)=O)COP(O)(O)=O
InChi:InChI=1S/C13H20FN2O7P/c1-8-13(19)11(6-16-10(4-14)2-3-12(17)18)9(5-15-8)7-23-24(20,21)22/h5,10,16,19H,2-4,6-7H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m0/s1
Definition date:2016-09-08
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
3Y7
3Y7
Name:7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
Formula:C10 H12 N4 O2
SMILES:n1onc2c(ccc(c12)N)N3CCOCC3
InChi:InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
Definition date:2014-12-10
Last modified:2017-03-24
Release date:2017-03-29
Identifier:7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
8SH
8SH
Name:(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol
Formula:C15 H25 O3 P S
SMILES:CCO[P](=O)(OCC)[CH](CS)CCCc1ccccc1
InChi:InChI=1S/C15H25O3PS/c1-3-17-19(16,18-4-2)15(13-20)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,20H,3-4,8,11-13H2,1-2H3/t15-/m1/s1
Definition date:2016-12-09
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol
8V4
8V4
Name:N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide
Formula:C10 H11 N3 O2
SMILES:n1(CC)cc(cn1)NC(=O)c2ccoc2
InChi:InChI=1S/C10H11N3O2/c1-2-13-6-9(5-11-13)12-10(14)8-3-4-15-7-8/h3-7H,2H2,1H3,(H,12,14)
Definition date:2017-03-06
Last modified:2017-03-24
Release date:2017-03-29
Identifier:N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide
8V7
8V7
Name:2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
Formula:C14 H14 N6 O S
SMILES:c3n(c(c2nc(C(=O)Nc1ncccc1)cs2)nn3)C(C)C
InChi:InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21)
Definition date:2017-03-06
Last modified:2017-03-24
Release date:2017-03-29
Identifier:2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
6FG
6FG
Name:3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
Formula:C11 H15 N O2
SMILES:O=C(N1CCCC1)CCc2ccoc2
InChi:InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2
Definition date:2016-03-30
Last modified:2017-03-24
Release date:2017-03-29
Identifier:3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
6FR
6FR
Name:1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
Formula:C11 H21 N O2 S
SMILES:O=S(CCC1CCCC1)(=O)N2CCCC2
InChi:InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2
Definition date:2016-03-31
Last modified:2017-03-24
Release date:2017-03-29
Identifier:1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
6LE
6LE
Name:(1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol
Formula:C8 H10 Cl N O
SMILES:c1c(ccc(c1)C(CN)O)Cl
InChi:InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
Definition date:2016-04-30
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol
6LJ
6LJ
Name:2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile
Formula:C24 H26 N4
SMILES:C1CCN(CC1)CCCNc4c2c(cccc2)nc(c3ccccc3C#N)c4
InChi:InChI=1S/C24H26N4/c25-18-19-9-2-3-10-20(19)24-17-23(21-11-4-5-12-22(21)27-24)26-13-8-16-28-14-6-1-7-15-28/h2-5,9-12,17H,1,6-8,13-16H2,(H,26,27)
Definition date:2016-05-02
Last modified:2017-03-24
Release date:2017-03-29
Identifier:2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile
6LY
6LY
Name:(1S)-2-amino-1-(4-bromophenyl)ethan-1-ol
Formula:C8 H10 Br N O
SMILES:c1cc(ccc1Br)C(CN)O
InChi:InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1
Definition date:2016-05-03
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(1S)-2-amino-1-(4-bromophenyl)ethan-1-ol
6LZ
6LZ
Name:2-amino-1-(4-fluorophenyl)ethan-1-one
Formula:C8 H8 F N O
SMILES:c1c(F)ccc(c1)C(=O)CN
InChi:InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
Definition date:2016-05-03
Last modified:2017-03-24
Release date:2017-03-29
Identifier:2-amino-1-(4-fluorophenyl)ethan-1-one
6PX
6PX
Name:methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate
Formula:C23 H31 N7 O5
SMILES:C(CCCNC(N)=N)(C(Nc1c(N)ccc(c1)C(NC(C(=O)OC)Cc2ccc(cc2)O)=O)=O)N
InChi:InChI=1S/C23H31N7O5/c1-35-22(34)19(11-13-4-7-15(31)8-5-13)30-20(32)14-6-9-16(24)18(12-14)29-21(33)17(25)3-2-10-28-23(26)27/h4-9,12,17,19,31H,2-3,10-11,24-25H2,1H3,(H,29,33)(H,30,32)(H4,26,27,28)/t17-,19-/m0/s1
Definition date:2016-05-19
Last modified:2017-03-24
Release date:2017-03-29
Identifier:methyl N-[4-amino-3-(L-arginylamino)benzene-1-carbonyl]-L-tyrosinate
6Q2
6Q2
Name:4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
Formula:C21 H19 N3 O2
SMILES:c1(cccc(OC)c1)Nc4c2C(=O)NCCc2nc(c3ccccc3)c4
InChi:InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)
Definition date:2016-05-19
Last modified:2017-03-24
Release date:2017-03-29
Identifier:4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
8E1
8E1
Name:4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
Formula:C16 H12 N4 O3 S2
SMILES:c1cc(ccc1S(=O)(=O)N)NC=C4c2c(ccc3ncsc23)NC4=O
InChi:InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-
Definition date:2017-01-26
Last modified:2017-03-24
Release date:2017-03-29
Identifier:4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
8G1
8G1
Name:(3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
Formula:C26 H18 Cl F N4 O4
SMILES:C=51C(CCN(C1=O)Cc2ccc(c(c2)Cl)F)=C6C(=O)NC3(CCc4c3c(C#N)ccc4)N6C(C=5O)=O
InChi:InChI=1S/C26H18ClFN4O4/c27-17-10-13(4-5-18(17)28)12-31-9-7-16-19(24(31)35)22(33)25(36)32-21(16)23(34)30-26(32)8-6-14-2-1-3-15(11-29)20(14)26/h1-5,10,33H,6-9,12H2,(H,30,34)/t26-/m1/s1
Definition date:2017-02-03
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
8G4
8G4
Name:(1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione
Formula:C28 H24 Cl F N4 O6
SMILES:Fc1ccc(cc1Cl)CN2C(C=7C(CC2)=C3N(C6(N(C3=O)CCN4C(C=CC4=O)=O)C5CC5CC6)C(=O)C=7O)=O
InChi:InChI=1S/C28H24ClFN4O6/c29-18-11-14(1-2-19(18)30)13-31-8-6-16-22(25(31)38)24(37)27(40)34-23(16)26(39)33(28(34)7-5-15-12-17(15)28)10-9-32-20(35)3-4-21(32)36/h1-4,11,15,17,37H,5-10,12-13H2/t15-,17+,28+/m1/s1
Definition date:2017-02-03
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione
8GJ
8GJ
Name:(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:C18 H21 F N2 O6 S
SMILES:C2(c1ccc(cc1F)OC)=CC(N(C=C2)CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:InChI=1S/C18H21FN2O6S/c1-18(17(23)20-24,28(3,25)26)7-9-21-8-6-12(10-16(21)22)14-5-4-13(27-2)11-15(14)19/h4-6,8,10-11,24H,7,9H2,1-3H3,(H,20,23)/t18-/m1/s1
Definition date:2017-02-04
Last modified:2017-03-24
Release date:2017-03-29
Identifier:(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
8KW
8KW
Name:3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
Formula:C15 H16 O3
SMILES:COc1cc(O)cc(CCc2ccccc2O)c1
InChi:InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
Definition date:2017-02-09
Last modified:2017-03-24
Release date:2017-03-29
Identifier:3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
8MA
8MA
Name:4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid
Formula:C26 H26 F N3 O3
SMILES:C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4ccc(cc4)F)=O
InChi:InChI=1S/C26H26FN3O3/c27-19-10-12-20(13-11-19)28-24-16-18(26(32)33)9-14-22(24)30-25(31)23-8-4-7-21(29-23)15-17-5-2-1-3-6-17/h4,7-14,16-17,28H,1-3,5-6,15H2,(H,30,31)(H,32,33)
Definition date:2017-02-16
Last modified:2017-03-24
Release date:2017-03-29
Identifier:4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid
8N4
8N4
Name:4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid
Formula:C27 H26 F3 N3 O4
SMILES:C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4cccc(c4)OC(F)(F)F)=O
InChi:InChI=1S/C27H26F3N3O4/c28-27(29,30)37-21-10-4-8-20(16-21)32-24-15-18(26(35)36)12-13-22(24)33-25(34)23-11-5-9-19(31-23)14-17-6-2-1-3-7-17/h4-5,8-13,15-17,32H,1-3,6-7,14H2,(H,33,34)(H,35,36)
Definition date:2017-02-21
Last modified:2017-03-24
Release date:2017-03-29
Identifier:4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid
8Q4
8Q4
Name:2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
Formula:C20 H21 Cl N2 O4
SMILES:CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl
InChi:InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24)
Definition date:2017-02-28
Last modified:2017-03-24
Release date:2017-03-29
Identifier:2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate

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